methyl 2-(6-methoxycarbonyl-2-phenyl-3-pyridinyl)-1,3-thiazole-4-carboxylate

C18H14N2O4S — CID 11164059

IUPACmethyl 2-(6-methoxycarbonyl-2-phenyl-3-pyridinyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(-c2ccc(C(=O)OC)nc2-c2ccccc2)n1
InChIInChI=1S/C18H14N2O4S/c1-23-17(21)13-9-8-12(15(19-13)11-6-4-3-5-7-11)16-20-14(10-25-16)18(22)24-2/h3-10H,1-2H3
InChIKeyVTAFDVNGZGGJPW-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.45
Rot. Bonds4

About methyl 2-(6-methoxycarbonyl-2-phenyl-3-pyridinyl)-1,3-thiazole-4-carboxylate

methyl 2-(6-methoxycarbonyl-2-phenyl-3-pyridinyl)-1,3-thiazole-4-carboxylate (PubChem CID 11164059) has the molecular formula C18H14N2O4S and a molecular weight of 354.39 g/mol. Its IUPAC name is methyl 2-(6-methoxycarbonyl-2-phenyl-3-pyridinyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(6-methoxycarbonyl-2-phenyl-3-pyridinyl)-1,3-thiazole-4-carboxylate
PubChem CID11164059
Molecular FormulaC18H14N2O4S
Molecular Weight354.39 g/mol
Exact Mass354.07
IUPAC Namemethyl 2-(6-methoxycarbonyl-2-phenyl-3-pyridinyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(-c2ccc(C(=O)OC)nc2-c2ccccc2)n1
InChIInChI=1S/C18H14N2O4S/c1-23-17(21)13-9-8-12(15(19-13)11-6-4-3-5-7-11)16-20-14(10-25-16)18(22)24-2/h3-10H,1-2H3
InChIKeyVTAFDVNGZGGJPW-UHFFFAOYSA-N
XLogP3.45
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-(6-methoxycarbonyl-2-phenyl-3-pyridinyl)-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-methoxycarbonyl-2-phenyl-3-pyridinyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(6-methoxycarbonyl-2-phenyl-3-pyridinyl)-1,3-thiazole-4-carboxylate (CID 11164059) is methyl 2-(6-methoxycarbonyl-2-phenyl-3-pyridinyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(6-methoxycarbonyl-2-phenyl-3-pyridinyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(6-methoxycarbonyl-2-phenyl-3-pyridinyl)-1,3-thiazole-4-carboxylate is COC(=O)c1csc(-c2ccc(C(=O)OC)nc2-c2ccccc2)n1.
What is the InChIKey of methyl 2-(6-methoxycarbonyl-2-phenyl-3-pyridinyl)-1,3-thiazole-4-carboxylate?
The InChIKey is VTAFDVNGZGGJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4S/c1-23-17(21)13-9-8-12(15(19-13)11-6-4-3-5-7-11)16-20-14(10-25-16)18(22)24-2/h3-10H,1-2H3.
What are the key properties of methyl 2-(6-methoxycarbonyl-2-phenyl-3-pyridinyl)-1,3-thiazole-4-carboxylate?
methyl 2-(6-methoxycarbonyl-2-phenyl-3-pyridinyl)-1,3-thiazole-4-carboxylate has a molecular weight of 354.39 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-methoxycarbonyl-2-phenyl-3-pyridinyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 11164059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).